SCHEMBL3634832

SCHEMBL3634832

CCCn1c(-c2ccc(Nc3ccc(C(=O)OC)nc3)nc2)nc2cccc(Cl)c21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.56
P2RX3 P56373 4/20 0.41
GALK1 P51570 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RORC P51449 1/20 0.36
VDR P11473 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 1/20 0.35
PADI4 Q9UM07 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3633709 0.87 GRM5 (0.75) GRM5P2RX3GALK1KDM4EALDH1A1
SCHEMBL3636829 0.86 GRM5 (0.75) GRM5KDM4EALDH1A1
SCHEMBL3636739 0.84 GRM5 (0.60) GRM5GALK1KDM4EALDH1A1HPGD
SCHEMBL3630176 0.84 GRM5 (0.57) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL3637528 0.84 GRM5 (0.60) GRM5KDM4EALDH1A1
SCHEMBL3629201 0.84 GRM5 (0.60) GRM5
SCHEMBL3636747 0.77 GRM5 (0.75) GRM5
SCHEMBL3637919 0.76 GRM5 (0.77) GRM5KDM4EALDH1A1
SCHEMBL3636267 0.74 GRM5 (0.77) GRM5KDM4E
SCHEMBL3632524 0.74 GRM5 (0.59) GRM5KDM4EALDH1A1HPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 GRM5 4545/4885P2RX3 499/4885GALK1 2624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.